Molecular Properties | |
SMILES: | O=C(Nc1cncc2cc(Cl)ccc12)C1CNS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 421.01 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 88.16 |
cLogP: | 3.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
ALP-POS-1cbc2fae-1
PET-UNK-6e612674-16
PET-UNK-6e612674-15
PET-UNK-6e612674-14
PET-UNK-6e612674-13
PET-UNK-6e612674-12
PET-UNK-6e612674-11
PET-UNK-6e612674-10
PET-UNK-6e612674-9
PET-UNK-6e612674-8
PET-UNK-6e612674-7
PET-UNK-6e612674-6
PET-UNK-6e612674-5
PET-UNK-6e612674-4
PET-UNK-6e612674-3
PET-UNK-6e612674-1
PET-UNK-6e612674-2
EDJ-MED-f9b78f78-1
0.778
MAT-POS-af1eef35-3
0.772
BEN-DND-d6f8d3c6-1
0.772
EDJ-MED-e18764cb-2
0.772
ALP-POS-a577c8a2-1
0.772
EDJ-MED-f9b78f78-2
0.724
EDJ-MED-d9f3798e-2
0.678
EDJ-MED-f9b78f78-3
0.651
EDJ-MED-f9b78f78-6
0.644
EDJ-MED-b7309adf-2
0.631
BEN-DND-f06bfa8e-5
0.631
MIK-UNK-58cd43d0-1
0.607
ALP-POS-4483ae88-4
0.607
MIK-UNK-78dbf1b8-1
0.607
BEN-DND-11faade0-1
0.523
PET-UNK-b78139fa-5
0.522
PET-UNK-b78139fa-6
0.511
EDJ-MED-41558c53-9
0.511
EDG-MED-f9979214-2
0.510
BEN-DND-0ac71396-1
0.510
ALP-POS-6f6ae286-7
0.510
BEN-DND-0ac71396-2
0.510
EDJ-MED-b7309adf-1
0.505
PET-UNK-2c6614b6-5
0.505
ERI-UCB-b3e6b0c2-11
0.505
MAT-POS-86c60949-1
0.505
PET-UNK-7279c968-5
0.505
ALP-POS-6f6ae286-1
0.505
EDJ-MED-93390d0c-2
0.505
PET-UNK-2c6614b6-7
0.495
BEN-DND-f06bfa8e-6
0.495
EDG-MED-f9979214-1
0.490
PET-UNK-c671f938-2
0.490
PET-UNK-c671f938-6
0.490
PET-UNK-022eab87-1
0.478
MAR-UCB-6ab2ec87-1
0.478
PET-UNK-b78139fa-9
0.478
EDJ-MED-41558c53-1
0.475
EDJ-MED-41558c53-11
0.475
ERI-UCB-b3e6b0c2-16
0.471
LUO-POS-868e8996-13
0.468
MIC-UNK-91acba05-3
0.468
LUO-POS-868e8996-14
0.468
MAT-POS-66a736cf-1
0.468
EDJ-MED-94fddcec-1
0.466
EDJ-MED-41558c53-13
0.465
LUO-POS-74179f4f-1
0.465
EDJ-MED-0186a59b-2
0.465
LUO-POS-edefcc0e-1
0.465
EDJ-MED-7889e8da-3
0.465
EDJ-MED-0186a59b-6
0.465
PET-UNK-b78139fa-3
0.465
PET-UNK-6e612674-10
0.464
PET-UNK-6e612674-2
0.464
MAT-POS-865c3497-1
0.463
MIC-UNK-91acba05-1
0.463
MAT-POS-22e8b45a-1
0.463
ROB-UNI-322e8f70-3
0.463
PET-UNK-b78139fa-7
0.463
PET-UNK-2c6614b6-9
0.463
MAT-POS-865c3497-2
0.463
EDJ-MED-41558c53-7
0.462
EDJ-MED-41558c53-3
0.456
PET-UNK-2c6614b6-3
0.455
PET-UNK-2c6614b6-6
0.454
EDJ-MED-41558c53-5
0.453
PET-UNK-b38839dc-17
0.451
PET-UNK-7bb24635-5
0.451
PET-UNK-b78139fa-2
0.450
ALP-POS-a577c8a2-2
0.449
PET-UNK-b78139fa-8
0.448
EDG-MED-e300b289-1
0.448
PET-UNK-b38839dc-16
0.447
PET-UNK-7279c968-9
0.446
EDJ-MED-be9e6f63-4
0.443
EDJ-MED-7889e8da-4
0.443
PET-UNK-2c6614b6-2
0.441
PET-UNK-b38839dc-14
0.441
PET-UNK-7bb24635-6
0.441
ERI-UCB-8d4e5055-3
0.440
PET-UNK-1e13ef09-1
0.440
MAT-POS-7ddaf7de-2
0.440
EDG-MED-e300b289-2
0.439
PET-UNK-3324058f-6
0.439
PET-UNK-3324058f-2
0.439
MAK-UNK-8be7dca9-9
0.439
PET-UNK-03fd2068-1
0.439
PET-UNK-2c6614b6-8
0.439
MAT-POS-3ccb8ef6-1
0.438
BEN-DND-f2e727cd-5
0.438
MAT-POS-d8472c4f-5
0.438
MAT-POS-3ccb8ef6-2
0.438
PET-UNK-7279c968-8
0.437
PET-UNK-b38839dc-13
0.437
ERI-UCB-b3e6b0c2-12
0.436
EDG-MED-e300b289-3
0.435
ERI-UCB-b3e6b0c2-2
0.434
PET-UNK-09a29654-2
0.434
PET-UNK-fe31e24a-1
0.431
EDJ-MED-93390d0c-1
0.431